EN300-203293_3

molecule

Data

Compound ID EN300-203293_3
ΔG / kcal M-1 −10.2 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN742 MAT-POS-b3e365b9-1_1 molecule EN300-203293_3_2 molecule −2.2 ± 0.4 work distributions convergence plot
RUN425 MAT-POS-b3e365b9-1_1 molecule EN300-203293_3_1 molecule −1.4 ± 0.3 work distributions convergence plot
Last updated 2021-01-23T12:23:05.310732+00:00
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